(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone

C9H10ClNO2S — CID 2225446

IUPAC(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C9H10ClNO2S/c10-8-2-1-7(14-8)9(12)11-3-5-13-6-4-11/h1-2H,3-6H2
InChIKeyMNGWDKFCAWGETD-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.87
Rot. Bonds1

About (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone

(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 2225446) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID2225446
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C9H10ClNO2S/c10-8-2-1-7(14-8)9(12)11-3-5-13-6-4-11/h1-2H,3-6H2
InChIKeyMNGWDKFCAWGETD-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone (CID 2225446) is (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is MNGWDKFCAWGETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-8-2-1-7(14-8)9(12)11-3-5-13-6-4-11/h1-2H,3-6H2.
What are the key properties of (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone?
(5-chlorothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 231.70 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2225446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).